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Competing S N 2 and E2 reaction pathways for hexachlorocyclohexane degradation in the gas phase, solution and enzymes

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Date

2011

Authors

Brittain, David
Pandey, Rinku
Kumari, Kirti
Sharma, Pooja
Pandey, Gunjan
Lal, Rup
Coote, Michelle
Oakeshott, John Graham
Jackson, Colin

Journal Title

Journal ISSN

Volume Title

Publisher

Royal Society of Chemistry

Abstract

Quantum chemistry calculations have been used alongside experimental kinetic analysis to investigate the competition between SN2 and E2 mechanisms for the dechlorination of hexachlorocyclohexane isomers, revealing that enzyme specificity reflects the intrinsic reactivity of the various isomers.

Description

Keywords

Keywords: enzyme; hexachlorocyclohexane; article; binding competition; dechlorination; degradation kinetics; enzyme specificity; gas; isomer; quantum chemistry; reaction analysis; solution and solubility; Bacterial Proteins; Gases; Insecticides; Isomerism; Kinetics

Citation

URI

http://hdl.handle.net/1885/61035

Collections

ANU Research Publications

Source

Chemical Communications

Type

Journal article

Book Title

Entity type

Access Statement

License Rights

DOI

10.1039/C0CC02925D

Restricted until

2037-12-31

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Description
01_Brittain_Competing_S_N_2_and_E2_2011.pdf (1.04 MB)

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